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zmiany w geomout dla AFM
[unres.git]
/
source
/
2015-04-23
Adam Sieradzan
zmiany w geomout dla AFM
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commitdiff
2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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commitdiff
2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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commitdiff
2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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commitdiff
2015-03-18
Adam Sieradzan
correction of correlation potentials
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commitdiff
2015-03-18
Adam Sieradzan
poprawki w potencjalach
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commitdiff
2015-03-16
Adam Sieradzan
drobne poprawki
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commitdiff
2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
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commitdiff
2015-03-04
Adam Sieradzan
correction in multichain
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commitdiff
2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
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commitdiff
2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
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commitdiff
2015-02-10
Adam Sieradzan
wprowadzenie lipidow
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commitdiff
2015-01-29
Adam Sieradzan
Introduction of lipid energy transfer
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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commitdiff
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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commitdiff
2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
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commitdiff
2014-10-23
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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commitdiff
2014-10-23
Adam Sieradzan
poprawka w stochasticfric
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commitdiff
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
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commitdiff
2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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commitdiff
2014-09-11
Adam Kazimierz Sie...
poprawka w triss
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commitdiff
2014-09-10
Adam Sieradzan
correction of xdrf2pdb
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commitdiff
2014-07-24
Adam Kazimierz Sie...
After long DEBUG of energy function
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commitdiff
2014-07-22
Adam Sieradzan
correction in MD returnbox
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
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commitdiff
2014-06-12
Adam Sieradzan
compiling cluster before tests
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commitdiff
2014-06-10
Adam Sieradzan
Introduction of PBC to cluster energy and reading,...
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commitdiff
2014-06-10
Adam Sieradzan
Bug fix for reading single residue from pdb
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commitdiff
2014-05-25
Adam Sieradzan
zmiany w multichainie
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commitdiff
2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
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commitdiff
2014-05-21
Adam Kazimierz Sie...
diagnoza dlaczego WHAM nie dziala
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commitdiff
2014-05-15
Adam Kazimierz Sie...
zmiany w WHAM PBC przed sprawdzeniem differow
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commitdiff
2014-05-13
Adam Sieradzan
Wylacznie timiningu i sprawdzenie gradientu
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commitdiff
2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
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commitdiff
2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
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commitdiff
2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
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commitdiff
2014-03-03
Adam Sieradzan
poprawka w refsysie
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commitdiff
2014-02-24
Adam Sieradzan
Working gradient for PBC
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commitdiff
2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
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commitdiff
2014-02-08
Adam Sieradzan
zmiany w galezi multichain
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commitdiff
2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
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commitdiff
2013-11-18
Adam Sieradzan
dzialajacy gradient
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commitdiff
2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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commitdiff
2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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commitdiff
2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-11-06
Dawid Jagiela
junk files cleanup
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
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commitdiff
2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 9
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 8
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commitdiff
2013-11-05
Adam Sieradzan
Debug cd 7
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 7
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 4
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 3
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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commitdiff
2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
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commitdiff
2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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commitdiff
2013-09-02
Cezary Czaplewski
repair of broken merge
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
merging devel
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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commitdiff
2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
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commitdiff
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